1 /* -*- c++ -*- ---------------------------------------------------------- 2 LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator 3 https://www.lammps.org/, Sandia National Laboratories 4 Steve Plimpton, sjplimp@sandia.gov 5 6 Copyright (2003) Sandia Corporation. Under the terms of Contract 7 DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains 8 certain rights in this software. This software is distributed under 9 the GNU General Public License. 10 11 See the README file in the top-level LAMMPS directory. 12 ------------------------------------------------------------------------- */ 13 14 #ifdef ANGLE_CLASS 15 // clang-format off 16 AngleStyle(fourier,AngleFourier); 17 // clang-format on 18 #else 19 20 #ifndef ANGLE_FOURIER_H 21 #define ANGLE_FOURIER_H 22 23 #include "angle.h" 24 25 namespace LAMMPS_NS { 26 27 class AngleFourier : public Angle { 28 public: 29 AngleFourier(class LAMMPS *); 30 virtual ~AngleFourier(); 31 virtual void compute(int, int); 32 void coeff(int, char **); 33 double equilibrium_angle(int); 34 void write_restart(FILE *); 35 void read_restart(FILE *); 36 void write_data(FILE *); 37 virtual double single(int, int, int, int); 38 39 protected: 40 double *k, *C0, *C1, *C2; 41 42 void allocate(); 43 }; 44 45 } // namespace LAMMPS_NS 46 47 #endif 48 #endif 49